4-(3-アミノフェニル)ピリジン

3-(4-Pyridyl)aniline

HCID 459523

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 40034-44-4
標準SMILES: Nc1cccc(-c2ccncc2)c1
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
分子式: C11H10N2
平均分子量: 170.21 g/mol
単同位体質量: 170.08439833

名称と識別子

優先名称: 3-(4-Pyridyl)aniline
IUPAC: 3-pyridin-4-ylaniline
現地名: 4-(3-アミノフェニル)ピリジン
英語名: 3-Pyridin-4-ylaniline
分子式: C11H10N2
分子量: 170.21

名称と別名

40034-44-43-(4-Pyridyl)anilineEINECS 254-760-53-(4-Pyridinyl)benzenamineDTXSID50193092RefChem:493404DTXCID60115583254-760-53-pyridin-4-ylaniline3-(Pyridin-4-yl)aniline4-(3-Aminophenyl)pyridineBenzenamine, 3-(4-pyridinyl)-

名称をさらに表示

4-(3-アミノフェニル)ピリジン3-ピリジン-4-イルアニリン3-(ピリジン-4-イル)アニリンAKOS BAR-2461Compound Fr121123-(4-PYRIDINYL)ANILINE3-(PYRINDIN-4-YL)ANILINE3-(Pyridin-4-yl)aniline97%

MFCD009567583-(4-pyridyl)phenylamine3-pyridin-4-yl-phenylamine3-(pyridin-4-yl)benzenamine3-(4-Pyridinyl)-benzenamine3-(4-Pyridyl) aniline4-(m-Aminophenyl)pyridineSCHEMBL583534

データベース識別子

CAS: 40034-44-4
PubChem CID: 459523
DTXSID: DTXSID50193092
ChEBI: CHEBI:195078
EC Number: 254-760-5
Nikkaji: J89.332C

物性

構造計算による物性

XLogP: 1.8
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 167 °C · 167 °C
沸点: 353.6 · 353.6±25.0 °C(Predicted)
比重(密度): 1.133 · 1.133±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: solid
酸解離定数(Pka): 5.33 · 5.33±0.26(Predicted)
色: Light brown
InChI: 1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)-c2ccncc2

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

安全データ

wgk: WGK 3
hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
hazard_note: Harmful
safety_code: 26
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects